N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-5388 |
| Compound Name: | N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C31 H32 N4 O5 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(cc1)OC)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0797 |
| logD: | 5.0797 |
| logSw: | -4.9626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.055 |
| InChI Key: | XBZRFURRYAFWBH-UHFFFAOYSA-N |